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uid 2253
scaling factor multiple (3)

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

Details

Properties

Number of atoms 42
Weight 339.1174 amu
Total energy -1036.625 Hartree
Zero-point energy 209.5939 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A
Solo hydrogens 1
Duo hydrogens 4
Trio hydrogens 6
Quartet hydrogens 4
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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4,233 species present in version 3.20 of the theoretical database (Sep 12, 2019)